UCSF

ZINC11535856

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.13 -0.92 -10.59 0 3 0 33 212.252 0
Lo Low (pH 4.5-6) 1.13 -0.88 -36.06 1 3 1 34 213.26 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )